N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide

C11H14ClN3O2 — CID 55110387

IUPACN-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C11H14ClN3O2/c1-7(6-12)10(16)14-8-3-2-4-9(5-8)15-11(13)17/h2-5,7H,6H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyLAGGMTSCJATYGT-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.99
Rot. Bonds4

About N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide

N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide (PubChem CID 55110387) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
PubChem CID55110387
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC NameN-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C11H14ClN3O2/c1-7(6-12)10(16)14-8-3-2-4-9(5-8)15-11(13)17/h2-5,7H,6H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyLAGGMTSCJATYGT-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide (CID 55110387) is N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide is CC(CCl)C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide?
The InChIKey is LAGGMTSCJATYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7(6-12)10(16)14-8-3-2-4-9(5-8)15-11(13)17/h2-5,7H,6H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide?
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide has a molecular weight of 255.71 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide is sourced from PubChem (CID 55110387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).