2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide

C25H23ClN2O — CID 1057301

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H23ClN2O/c1-18-10-12-19(13-11-18)17-28(25(29)22-7-2-4-8-23(22)26)15-14-20-16-27-24-9-5-3-6-21(20)24/h2-13,16,27H,14-15,17H2,1H3
InChIKeyYCFCKQNVZWQLHT-UHFFFAOYSA-N
MW402.93 g/mol
LogP6.01
Rot. Bonds6

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 1057301) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID1057301
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H23ClN2O/c1-18-10-12-19(13-11-18)17-28(25(29)22-7-2-4-8-23(22)26)15-14-20-16-27-24-9-5-3-6-21(20)24/h2-13,16,27H,14-15,17H2,1H3
InChIKeyYCFCKQNVZWQLHT-UHFFFAOYSA-N
XLogP6.01
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42772544
3,5-dichloro-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5097734
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 4656430
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42772532
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3650559
N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 42777098
4-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 42777113
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 4184088
4-bromo-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4145200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide (CID 1057301) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is YCFCKQNVZWQLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-18-10-12-19(13-11-18)17-28(25(29)22-7-2-4-8-23(22)26)15-14-20-16-27-24-9-5-3-6-21(20)24/h2-13,16,27H,14-15,17H2,1H3.
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 402.93 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 1057301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).