N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide

C18H17ClN2O — CID 2477787

IUPACN-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c19-15-5-3-4-13(10-15)11-21-18(22)9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,20H,8-9,11H2,(H,21,22)
InChIKeyLETBOOPWOZRPAK-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.07
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide

N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 2477787) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID2477787
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c19-15-5-3-4-13(10-15)11-21-18(22)9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,20H,8-9,11H2,(H,21,22)
InChIKeyLETBOOPWOZRPAK-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide (CID 2477787) is N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is LETBOOPWOZRPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-15-5-3-4-13(10-15)11-21-18(22)9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,20H,8-9,11H2,(H,21,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 312.80 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 2477787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).