2-chloro-2-(phenylcarbamoylamino)acetamide

C9H10ClN3O2 — CID 151303607

IUPAC2-chloro-2-(phenylcarbamoylamino)acetamide
SMILESNC(=O)C(Cl)NC(=O)Nc1ccccc1
InChIInChI=1S/C9H10ClN3O2/c10-7(8(11)14)13-9(15)12-6-4-2-1-3-5-6/h1-5,7H,(H2,11,14)(H2,12,13,15)
InChIKeyOCXSVYSGSKIORX-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.86
Rot. Bonds3

About 2-chloro-2-(phenylcarbamoylamino)acetamide

2-chloro-2-(phenylcarbamoylamino)acetamide (PubChem CID 151303607) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-2-(phenylcarbamoylamino)acetamide.

Molecular Properties

Compound Name2-chloro-2-(phenylcarbamoylamino)acetamide
PubChem CID151303607
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-chloro-2-(phenylcarbamoylamino)acetamide
SMILESNC(=O)C(Cl)NC(=O)Nc1ccccc1
InChIInChI=1S/C9H10ClN3O2/c10-7(8(11)14)13-9(15)12-6-4-2-1-3-5-6/h1-5,7H,(H2,11,14)(H2,12,13,15)
InChIKeyOCXSVYSGSKIORX-UHFFFAOYSA-N
XLogP0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
4-amino-4-oxo-2-(phenylcarbamoylamino)butanoic acid
CID 16772019
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-[(1R)-1-anilino-2,2,2-trichloroethyl]-3-phenylurea
CID 1381267
1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
CID 100952143
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-(2-chloropropyl)-3-phenylurea
CID 70181020
1-phenyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
CID 15438831
1-but-3-yn-2-yl-3-phenylurea
CID 114419037
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(phenylcarbamoylamino)acetamide?
The IUPAC name of 2-chloro-2-(phenylcarbamoylamino)acetamide (CID 151303607) is 2-chloro-2-(phenylcarbamoylamino)acetamide.
What is the SMILES notation for 2-chloro-2-(phenylcarbamoylamino)acetamide?
The canonical SMILES for 2-chloro-2-(phenylcarbamoylamino)acetamide is NC(=O)C(Cl)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-chloro-2-(phenylcarbamoylamino)acetamide?
The InChIKey is OCXSVYSGSKIORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-7(8(11)14)13-9(15)12-6-4-2-1-3-5-6/h1-5,7H,(H2,11,14)(H2,12,13,15).
What are the key properties of 2-chloro-2-(phenylcarbamoylamino)acetamide?
2-chloro-2-(phenylcarbamoylamino)acetamide has a molecular weight of 227.65 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(phenylcarbamoylamino)acetamide is sourced from PubChem (CID 151303607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).