(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one

C16H14ClNO — CID 18531505

IUPAC(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
SMILESCc1cccc(C(=O)/C=C\Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClNO/c1-12-4-2-5-13(10-12)16(19)8-9-18-15-7-3-6-14(17)11-15/h2-11,18H,1H3/b9-8-
InChIKeyNUCUMEOGVFBLPG-HJWRWDBZSA-N
MW271.75 g/mol
LogP4.46
Rot. Bonds4

About (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one

(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one (PubChem CID 18531505) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
PubChem CID18531505
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
SMILESCc1cccc(C(=O)/C=C\Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClNO/c1-12-4-2-5-13(10-12)16(19)8-9-18-15-7-3-6-14(17)11-15/h2-11,18H,1H3/b9-8-
InChIKeyNUCUMEOGVFBLPG-HJWRWDBZSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 20786873
(Z)-3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 98392202
(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 18531911
1-(3-methylphenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
CID 4224087
(E)-1-(4-butoxyphenyl)-3-(3-chloroanilino)prop-2-en-1-one
CID 51045711
(Z)-3-(3-acetylanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 5350578
ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one
CID 145409740
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-methylanilino)prop-2-en-1-one
CID 3681589
ethyl 3-[[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 39346398
(E)-1-(4-methylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2267875

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one (CID 18531505) is (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one is Cc1cccc(C(=O)/C=C\Nc2cccc(Cl)c2)c1.
What is the InChIKey of (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one?
The InChIKey is NUCUMEOGVFBLPG-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-12-4-2-5-13(10-12)16(19)8-9-18-15-7-3-6-14(17)11-15/h2-11,18H,1H3/b9-8-.
What are the key properties of (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one?
(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one has a molecular weight of 271.75 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 18531505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).