(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide

C20H16ClNO — CID 92949912

IUPAC(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C20H16ClNO/c1-14-9-11-17(13-19(14)21)22-20(23)12-10-16-7-4-6-15-5-2-3-8-18(15)16/h2-13H,1H3,(H,22,23)/b12-10-
InChIKeyPUHWMTZYAFMKTQ-BENRWUELSA-N
MW321.81 g/mol
LogP5.45
Rot. Bonds3

About (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide

(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 92949912) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID92949912
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C20H16ClNO/c1-14-9-11-17(13-19(14)21)22-20(23)12-10-16-7-4-6-15-5-2-3-8-18(15)16/h2-13H,1H3,(H,22,23)/b12-10-
InChIKeyPUHWMTZYAFMKTQ-BENRWUELSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057812
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 681397
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 6031428
N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 52940521
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide (CID 92949912) is (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide is Cc1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1Cl.
What is the InChIKey of (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is PUHWMTZYAFMKTQ-BENRWUELSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-14-9-11-17(13-19(14)21)22-20(23)12-10-16-7-4-6-15-5-2-3-8-18(15)16/h2-13H,1H3,(H,22,23)/b12-10-.
What are the key properties of (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide?
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 321.81 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 92949912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).