2-(1-anilinoethenylamino)-N-methylbenzamide

C16H17N3O — CID 59846622

IUPAC2-(1-anilinoethenylamino)-N-methylbenzamide
SMILESC=C(Nc1ccccc1)Nc1ccccc1C(=O)NC
InChIInChI=1S/C16H17N3O/c1-12(18-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)16(20)17-2/h3-11,18-19H,1H2,2H3,(H,17,20)
InChIKeyPNDWZPYKISOOOP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.04
Rot. Bonds5

About 2-(1-anilinoethenylamino)-N-methylbenzamide

2-(1-anilinoethenylamino)-N-methylbenzamide (PubChem CID 59846622) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1-anilinoethenylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-(1-anilinoethenylamino)-N-methylbenzamide
PubChem CID59846622
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(1-anilinoethenylamino)-N-methylbenzamide
SMILESC=C(Nc1ccccc1)Nc1ccccc1C(=O)NC
InChIInChI=1S/C16H17N3O/c1-12(18-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)16(20)17-2/h3-11,18-19H,1H2,2H3,(H,17,20)
InChIKeyPNDWZPYKISOOOP-UHFFFAOYSA-N
XLogP3.04
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-2-(3-oxobutanoylamino)benzamide
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2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
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2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
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2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
2-hydrazinyl-N-phenylbenzamide
CID 12569370
N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
CID 166421201
2-(2-methoxypropanoylamino)-N-methylbenzamide
CID 47302363
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154

Frequently Asked Questions

What is the IUPAC name of 2-(1-anilinoethenylamino)-N-methylbenzamide?
The IUPAC name of 2-(1-anilinoethenylamino)-N-methylbenzamide (CID 59846622) is 2-(1-anilinoethenylamino)-N-methylbenzamide.
What is the SMILES notation for 2-(1-anilinoethenylamino)-N-methylbenzamide?
The canonical SMILES for 2-(1-anilinoethenylamino)-N-methylbenzamide is C=C(Nc1ccccc1)Nc1ccccc1C(=O)NC.
What is the InChIKey of 2-(1-anilinoethenylamino)-N-methylbenzamide?
The InChIKey is PNDWZPYKISOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(18-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)16(20)17-2/h3-11,18-19H,1H2,2H3,(H,17,20).
What are the key properties of 2-(1-anilinoethenylamino)-N-methylbenzamide?
2-(1-anilinoethenylamino)-N-methylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-anilinoethenylamino)-N-methylbenzamide is sourced from PubChem (CID 59846622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).