2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide

C15H19ClN2O — CID 54818050

IUPAC2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-4-8-18(9-5-2)11-15(19)17-13-7-6-12(3)14(16)10-13/h4-7,10H,1-2,8-9,11H2,3H3,(H,17,19)
InChIKeyRTRPFYRUPGMTND-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.26
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide

2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 54818050) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID54818050
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-4-8-18(9-5-2)11-15(19)17-13-7-6-12(3)14(16)10-13/h4-7,10H,1-2,8-9,11H2,3H3,(H,17,19)
InChIKeyRTRPFYRUPGMTND-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide
CID 54817965
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277217
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate
CID 61035161
4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 3297635
2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 78822124
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9030490
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 79652359

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide (CID 54818050) is 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide is C=CCN(CC=C)CC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is RTRPFYRUPGMTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-4-8-18(9-5-2)11-15(19)17-13-7-6-12(3)14(16)10-13/h4-7,10H,1-2,8-9,11H2,3H3,(H,17,19).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide?
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 278.78 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 54818050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).