4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide

C20H27ClN2O2 — CID 162478471

IUPAC4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(N3CCOCC3)CC21
InChIInChI=1S/C20H27ClN2O2/c1-2-18(22-20(24)13-3-5-14(21)6-4-13)19-16-11-15(12-17(16)19)23-7-9-25-10-8-23/h3-6,15-19H,2,7-12H2,1H3,(H,22,24)
InChIKeyQYGQTIQAQSTMMM-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.21
Rot. Bonds5

About 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide

4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide (PubChem CID 162478471) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide
PubChem CID162478471
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(N3CCOCC3)CC21
InChIInChI=1S/C20H27ClN2O2/c1-2-18(22-20(24)13-3-5-14(21)6-4-13)19-16-11-15(12-17(16)19)23-7-9-25-10-8-23/h3-6,15-19H,2,7-12H2,1H3,(H,22,24)
InChIKeyQYGQTIQAQSTMMM-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[(5S)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 166839269
4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288851
methyl (2S)-2-[(1S,5R)-6-[(1S)-1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-2-phenylacetate
CID 153288998
4-chloro-N-[1-[(1S,5R)-3-[(1-methylcyclopropyl)sulfonylamino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153289137
4-chloro-N-[1-[3-(7-chloroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 162478506
4-chloro-N-[(1R)-1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;4-chloro-N-[(1S)-1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;4-chloro-N-[1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;methyl thiohypofluorite
CID 160914231
N-[6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]pyrimidine-4-carboxamide
CID 162478507
4-chloro-N-[1-[3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288919
[6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl] N-(4-nitrophenyl)carbamate
CID 153289096
2-[[(1S,5R)-6-[1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]amino]-2-phenylacetic acid;4-chloro-N-[1-[(1R,5S)-3-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 159436078

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide (CID 162478471) is 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(N3CCOCC3)CC21.
What is the InChIKey of 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide?
The InChIKey is QYGQTIQAQSTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-2-18(22-20(24)13-3-5-14(21)6-4-13)19-16-11-15(12-17(16)19)23-7-9-25-10-8-23/h3-6,15-19H,2,7-12H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide?
4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide has a molecular weight of 362.90 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)propyl]benzamide is sourced from PubChem (CID 162478471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).