4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide

C21H25ClN4O2 — CID 149320545

IUPAC4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide
SMILESCOCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cc(C4CC4)nn3)C[C@@H]12
InChIInChI=1S/C21H25ClN4O2/c1-28-11-19(23-21(27)13-4-6-14(22)7-5-13)20-16-8-15(9-17(16)20)26-10-18(24-25-26)12-2-3-12/h4-7,10,12,15-17,19-20H,2-3,8-9,11H2,1H3,(H,23,27)/t15?,16-,17+,19?,20?
InChIKeyYAJMNHLGTVJUFC-IXHKABCMSA-N
MW400.91 g/mol
LogP3.45
Rot. Bonds7

About 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide

4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide (PubChem CID 149320545) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide
PubChem CID149320545
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide
SMILESCOCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cc(C4CC4)nn3)C[C@@H]12
InChIInChI=1S/C21H25ClN4O2/c1-28-11-19(23-21(27)13-4-6-14(22)7-5-13)20-16-8-15(9-17(16)20)26-10-18(24-25-26)12-2-3-12/h4-7,10,12,15-17,19-20H,2-3,8-9,11H2,1H3,(H,23,27)/t15?,16-,17+,19?,20?
InChIKeyYAJMNHLGTVJUFC-IXHKABCMSA-N
XLogP3.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288994
4-chloro-N-[1-[(5S)-3-(4-phenylimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 166839276
4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide
CID 162478471
4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288851
4-chloro-N-[1-[(5S)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 166839269
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
methyl (2S)-2-[(1S,5R)-6-[(1S)-1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-2-phenylacetate
CID 153288998
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
4-chloro-N-propan-2-ylbenzamide
CID 24045
methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate
CID 153288965
N-[6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]pyrimidine-4-carboxamide
CID 162478507
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide (CID 149320545) is 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide is COCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cc(C4CC4)nn3)C[C@@H]12.
What is the InChIKey of 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide?
The InChIKey is YAJMNHLGTVJUFC-IXHKABCMSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-28-11-19(23-21(27)13-4-6-14(22)7-5-13)20-16-8-15(9-17(16)20)26-10-18(24-25-26)12-2-3-12/h4-7,10,12,15-17,19-20H,2-3,8-9,11H2,1H3,(H,23,27)/t15?,16-,17+,19?,20?.
What are the key properties of 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide?
4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide has a molecular weight of 400.91 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(1R,5S)-3-(4-cyclopropyltriazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-methoxyethyl]benzamide is sourced from PubChem (CID 149320545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).