2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide

C11H13Cl2N3O2 — CID 69169188

IUPAC2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide
SMILESCC(NC(=O)NCc1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H13Cl2N3O2/c1-6(10(14)17)16-11(18)15-5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,17)(H2,15,16,18)
InChIKeyQDTZEYBZLMOJAR-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.67
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide

2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide (PubChem CID 69169188) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide
PubChem CID69169188
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide
SMILESCC(NC(=O)NCc1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H13Cl2N3O2/c1-6(10(14)17)16-11(18)15-5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,17)(H2,15,16,18)
InChIKeyQDTZEYBZLMOJAR-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
(2S)-6-amino-2-[(3,4-dichlorophenyl)methylcarbamoylamino]hexanoic acid
CID 69109772
3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide
CID 134006547
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63044929
1-[(3-chloro-4-methylsulfonylphenyl)methyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 100691019
(2S)-4-amino-2-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717193
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
(2S)-2-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 62533440
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
CID 78773290
2-[(3,4-difluorophenyl)methylcarbamoylamino]propanoic acid
CID 54967577

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide (CID 69169188) is 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide is CC(NC(=O)NCc1ccc(Cl)c(Cl)c1)C(N)=O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide?
The InChIKey is QDTZEYBZLMOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-6(10(14)17)16-11(18)15-5-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,17)(H2,15,16,18).
What are the key properties of 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide?
2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide has a molecular weight of 290.15 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylcarbamoylamino]propanamide is sourced from PubChem (CID 69169188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).