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

C11H13ClN2O3 — CID 43146330

IUPAC3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
SMILESCOc1cccc(NC(=O)NC(=O)CCCl)c1
InChIInChI=1S/C11H13ClN2O3/c1-17-9-4-2-3-8(7-9)13-11(16)14-10(15)5-6-12/h2-4,7H,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyUJJWCRFXUCDSPC-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.97
Rot. Bonds4

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

3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide (PubChem CID 43146330) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
PubChem CID43146330
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
SMILESCOc1cccc(NC(=O)NC(=O)CCCl)c1
InChIInChI=1S/C11H13ClN2O3/c1-17-9-4-2-3-8(7-9)13-11(16)14-10(15)5-6-12/h2-4,7H,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyUJJWCRFXUCDSPC-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide
CID 54967319
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
4-(4-chlorophenoxy)-N-[(3-methoxyphenyl)carbamothioyl]butanamide
CID 19188819
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide (CID 43146330) is 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide is COc1cccc(NC(=O)NC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
The InChIKey is UJJWCRFXUCDSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-17-9-4-2-3-8(7-9)13-11(16)14-10(15)5-6-12/h2-4,7H,5-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide?
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide has a molecular weight of 256.69 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide is sourced from PubChem (CID 43146330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).