N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide

C21H21ClN2O — CID 97496454

IUPACN-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C21H21ClN2O/c22-17-10-4-8-15-16-9-5-11-18(21(16)24-20(15)17)23-19(25)13-12-14-6-2-1-3-7-14/h1-4,6-8,10,18,24H,5,9,11-13H2,(H,23,25)/t18-/m1/s1
InChIKeyBDUXHPQWGNQCBV-GOSISDBHSA-N
MW352.87 g/mol
LogP4.95
Rot. Bonds4

About N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide

N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide (PubChem CID 97496454) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
PubChem CID97496454
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C21H21ClN2O/c22-17-10-4-8-15-16-9-5-11-18(21(16)24-20(15)17)23-19(25)13-12-14-6-2-1-3-7-14/h1-4,6-8,10,18,24H,5,9,11-13H2,(H,23,25)/t18-/m1/s1
InChIKeyBDUXHPQWGNQCBV-GOSISDBHSA-N
XLogP4.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide
CID 97496306
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
CID 99755034
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71828982
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide
CID 75489035
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
CID 97426181
(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 125124025
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 90489330
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425394
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425395
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
CID 75489736

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
The IUPAC name of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide (CID 97496454) is N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
The InChIKey is BDUXHPQWGNQCBV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-17-10-4-8-15-16-9-5-11-18(21(16)24-20(15)17)23-19(25)13-12-14-6-2-1-3-7-14/h1-4,6-8,10,18,24H,5,9,11-13H2,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide?
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide has a molecular weight of 352.87 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide is sourced from PubChem (CID 97496454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).