N-(3,4-dichlorophenyl)-2-methylprop-2-enamide

C10H9Cl2NO — CID 16560

IUPACN-(3,4-dichlorophenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14)
InChIKeyVCBRBUKGTWLJOB-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.51
Rot. Bonds2

About N-(3,4-dichlorophenyl)-2-methylprop-2-enamide

N-(3,4-dichlorophenyl)-2-methylprop-2-enamide (PubChem CID 16560) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-methylprop-2-enamide
PubChem CID16560
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC NameN-(3,4-dichlorophenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14)
InChIKeyVCBRBUKGTWLJOB-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.51
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

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CID 20793404
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CID 129160039
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
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S-methyl N-(3,4-dichlorophenyl)carbamothioate
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2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
3-chloro-N-(3,4-dichlorophenyl)but-2-enamide
CID 54340500
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929
N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
CID 43315781
2-[(3,4-dichlorophenyl)carbamoyloxy]-3-methylbut-3-enoic acid
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2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-methylprop-2-enamide (CID 16560) is N-(3,4-dichlorophenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-methylprop-2-enamide?
The InChIKey is VCBRBUKGTWLJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14).
What are the key properties of N-(3,4-dichlorophenyl)-2-methylprop-2-enamide?
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide has a molecular weight of 230.09 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 16560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).