2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

C19H18Cl2N2O2 — CID 20834599

IUPAC2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-12(2)22-19(25)17(10-13-6-4-3-5-7-13)23-18(24)15-9-8-14(20)11-16(15)21/h3-12H,1-2H3,(H,22,25)(H,23,24)/b17-10-
InChIKeyMAQDRFLQQQZAGR-YVLHZVERSA-N
MW377.27 g/mol
LogP4.29
Rot. Bonds5

About 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (PubChem CID 20834599) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
PubChem CID20834599
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-12(2)22-19(25)17(10-13-6-4-3-5-7-13)23-18(24)15-9-8-14(20)11-16(15)21/h3-12H,1-2H3,(H,22,25)(H,23,24)/b17-10-
InChIKeyMAQDRFLQQQZAGR-YVLHZVERSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[(Z)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 27396130
2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 3855637
2,4-dichloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 74638609
2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide
CID 18859830
(2R)-2-[[(Z)-2-[(2-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 2257706
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide
CID 69432024
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 6985024
[4-[(Z)-2-benzamido-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl] ethanesulfonate
CID 88640018
2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5403893
2-chloro-N-[3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 3128994

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (CID 20834599) is 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is CC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The InChIKey is MAQDRFLQQQZAGR-YVLHZVERSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12(2)22-19(25)17(10-13-6-4-3-5-7-13)23-18(24)15-9-8-14(20)11-16(15)21/h3-12H,1-2H3,(H,22,25)(H,23,24)/b17-10-.
What are the key properties of 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide has a molecular weight of 377.27 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 20834599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).