2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide

C14H16ClN3O — CID 66409168

IUPAC2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1cc(NCc2cc[nH]c2)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-18(2)14(19)12-7-11(3-4-13(12)15)17-9-10-5-6-16-8-10/h3-8,16-17H,9H2,1-2H3
InChIKeyXENUTQNWJWOJLN-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide

2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide (PubChem CID 66409168) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
PubChem CID66409168
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1cc(NCc2cc[nH]c2)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-18(2)14(19)12-7-11(3-4-13(12)15)17-9-10-5-6-16-8-10/h3-8,16-17H,9H2,1-2H3
InChIKeyXENUTQNWJWOJLN-UHFFFAOYSA-N
XLogP2.98
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168593187
2-fluoro-5-(1H-pyrrol-3-ylmethylamino)benzoic acid
CID 66410049
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62749405
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 83089965
4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66409588
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide (CID 66409168) is 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide is CN(C)C(=O)c1cc(NCc2cc[nH]c2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide?
The InChIKey is XENUTQNWJWOJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18(2)14(19)12-7-11(3-4-13(12)15)17-9-10-5-6-16-8-10/h3-8,16-17H,9H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide?
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide has a molecular weight of 277.76 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide is sourced from PubChem (CID 66409168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).