2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide

C11H13ClN2O3 — CID 43146331

IUPAC2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
SMILESCOc1cccc(NC(=O)NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-7(12)10(15)14-11(16)13-8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyUBAGAIVLHLUIHY-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.97
Rot. Bonds3

About 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide

2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide (PubChem CID 43146331) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
PubChem CID43146331
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
SMILESCOc1cccc(NC(=O)NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-7(12)10(15)14-11(16)13-8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyUBAGAIVLHLUIHY-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 15740358
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 61310773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide (CID 43146331) is 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide is COc1cccc(NC(=O)NC(=O)C(C)Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
The InChIKey is UBAGAIVLHLUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(12)10(15)14-11(16)13-8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide has a molecular weight of 256.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide is sourced from PubChem (CID 43146331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).