2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide

C14H18ClN3O3 — CID 51281599

IUPAC2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-8(13(19)18-14(20)17-9-3-4-9)16-10-5-6-12(21-2)11(15)7-10/h5-9,16H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyDRRXXORTLRXMFR-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide

2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide (PubChem CID 51281599) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
PubChem CID51281599
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C14H18ClN3O3/c1-8(13(19)18-14(20)17-9-3-4-9)16-10-5-6-12(21-2)11(15)7-10/h5-9,16H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyDRRXXORTLRXMFR-UHFFFAOYSA-N
XLogP2.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338
N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 51281614
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130939
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide (CID 51281599) is 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide is COc1ccc(NC(C)C(=O)NC(=O)NC2CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide?
The InChIKey is DRRXXORTLRXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-8(13(19)18-14(20)17-9-3-4-9)16-10-5-6-12(21-2)11(15)7-10/h5-9,16H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide?
2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide has a molecular weight of 311.77 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide is sourced from PubChem (CID 51281599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).