N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide

C21H21ClN2O2 — CID 113085158

IUPACN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C21H21ClN2O2/c22-15-6-7-19-17(12-15)18(13-23-19)21(9-10-21)14-24-20(25)8-11-26-16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14H2,(H,24,25)
InChIKeyBTDZLLQCYTULOH-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.44
Rot. Bonds7

About N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide (PubChem CID 113085158) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
PubChem CID113085158
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C21H21ClN2O2/c22-15-6-7-19-17(12-15)18(13-23-19)21(9-10-21)14-24-20(25)8-11-26-16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14H2,(H,24,25)
InChIKeyBTDZLLQCYTULOH-UHFFFAOYSA-N
XLogP4.44
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085349
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085166
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
CID 113085126
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
CID 113085133
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]furan-2-carboxamide
CID 113085134
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 113085260
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113085465
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide?
The IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide (CID 113085158) is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide?
The InChIKey is BTDZLLQCYTULOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-15-6-7-19-17(12-15)18(13-23-19)21(9-10-21)14-24-20(25)8-11-26-16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14H2,(H,24,25).
What are the key properties of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide?
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide has a molecular weight of 368.86 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide is sourced from PubChem (CID 113085158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).