4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide

C19H19N3O2 — CID 168801031

IUPAC4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cc(C(=O)NC2CC2)ccc1Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-18(23)22-17-12-13(19(24)21-15-9-10-15)8-11-16(17)20-14-6-4-3-5-7-14/h2-8,11-12,15,20H,1,9-10H2,(H,21,24)(H,22,23)
InChIKeyMONUNGBZJVAVNL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.45
Rot. Bonds6

About 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide

4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide (PubChem CID 168801031) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound Name4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide
PubChem CID168801031
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cc(C(=O)NC2CC2)ccc1Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-2-18(23)22-17-12-13(19(24)21-15-9-10-15)8-11-16(17)20-14-6-4-3-5-7-14/h2-8,11-12,15,20H,1,9-10H2,(H,21,24)(H,22,23)
InChIKeyMONUNGBZJVAVNL-UHFFFAOYSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
4-hydroxy-3-(prop-2-enoylamino)-N-(3-pyrrolidin-1-ylcyclobutyl)benzamide
CID 166414273
3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
CID 100623628
N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide
CID 88565842
4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616996
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
4-benzyl-N-cyclopropylbenzamide
CID 45086871
3-hydroxy-4-(prop-2-enoylamino)benzoic acid
CID 45089793
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
CID 84819035
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide?
The IUPAC name of 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide (CID 168801031) is 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cc(C(=O)NC2CC2)ccc1Nc1ccccc1.
What is the InChIKey of 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide?
The InChIKey is MONUNGBZJVAVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-18(23)22-17-12-13(19(24)21-15-9-10-15)8-11-16(17)20-14-6-4-3-5-7-14/h2-8,11-12,15,20H,1,9-10H2,(H,21,24)(H,22,23).
What are the key properties of 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide?
4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 168801031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).