2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide

C17H14ClN3O2 — CID 141037783

IUPAC2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cc1Cl
InChIInChI=1S/C17H14ClN3O2/c18-14-8-12(3-4-13(14)16(19)22)17(23)21-9-10-1-2-11-5-6-20-15(11)7-10/h1-8,20H,9H2,(H2,19,22)(H,21,23)
InChIKeyVPCRVKVQNAQWMC-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide

2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 141037783) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID141037783
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cc1Cl
InChIInChI=1S/C17H14ClN3O2/c18-14-8-12(3-4-13(14)16(19)22)17(23)21-9-10-1-2-11-5-6-20-15(11)7-10/h1-8,20H,9H2,(H2,19,22)(H,21,23)
InChIKeyVPCRVKVQNAQWMC-UHFFFAOYSA-N
XLogP2.85
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
CID 84580794
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
methyl (Z)-2-[[2-chloro-4-(1H-indol-6-ylmethylcarbamoyl)benzoyl]amino]-3-quinolin-3-ylprop-2-enoate
CID 70028702
3-[(1H-indole-6-carbonylamino)methyl]benzoic acid
CID 84761714
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 71896039
N-[(4-carbamothioylphenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 62309633
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide (CID 141037783) is 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is VPCRVKVQNAQWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-14-8-12(3-4-13(14)16(19)22)17(23)21-9-10-1-2-11-5-6-20-15(11)7-10/h1-8,20H,9H2,(H2,19,22)(H,21,23).
What are the key properties of 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide?
2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 327.77 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 141037783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).