N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide

C18H17ClN2O — CID 7900117

IUPACN-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c19-14-6-4-7-15(11-14)21-18(22)10-3-5-13-12-20-17-9-2-1-8-16(13)17/h1-2,4,6-9,11-12,20H,3,5,10H2,(H,21,22)
InChIKeyBBRXLRYRMXFAAT-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.78
Rot. Bonds5

About N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide

N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 7900117) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
PubChem CID7900117
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c19-14-6-4-7-15(11-14)21-18(22)10-3-5-13-12-20-17-9-2-1-8-16(13)17/h1-2,4,6-9,11-12,20H,3,5,10H2,(H,21,22)
InChIKeyBBRXLRYRMXFAAT-UHFFFAOYSA-N
XLogP4.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
CID 20968974
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
4-(1H-indol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 46412931
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
2-(3-chlorophenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171229

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide (CID 7900117) is N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is BBRXLRYRMXFAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-14-6-4-7-15(11-14)21-18(22)10-3-5-13-12-20-17-9-2-1-8-16(13)17/h1-2,4,6-9,11-12,20H,3,5,10H2,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide?
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 312.80 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 7900117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).