2-(butylamino)-N-(3-chlorophenyl)propanamide

C13H19ClN2O — CID 3069643

IUPAC2-(butylamino)-N-(3-chlorophenyl)propanamide
SMILESCCCCNC(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-4-8-15-10(2)13(17)16-12-7-5-6-11(14)9-12/h5-7,9-10,15H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyATKIUUQEGUYKRH-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.06
Rot. Bonds6

About 2-(butylamino)-N-(3-chlorophenyl)propanamide

2-(butylamino)-N-(3-chlorophenyl)propanamide (PubChem CID 3069643) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(butylamino)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(butylamino)-N-(3-chlorophenyl)propanamide
PubChem CID3069643
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(butylamino)-N-(3-chlorophenyl)propanamide
SMILESCCCCNC(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-4-8-15-10(2)13(17)16-12-7-5-6-11(14)9-12/h5-7,9-10,15H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyATKIUUQEGUYKRH-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(octylamino)-N-phenylpropanamide
CID 78914372
(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
CID 2608999
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylazanium
CID 2412456
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
2-bromo-N-(3-chlorophenyl)pentanamide
CID 19256824
1-(3-chlorophenyl)-3-undecylurea
CID 4294975

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 2-(butylamino)-N-(3-chlorophenyl)propanamide (CID 3069643) is 2-(butylamino)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 2-(butylamino)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 2-(butylamino)-N-(3-chlorophenyl)propanamide is CCCCNC(C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(butylamino)-N-(3-chlorophenyl)propanamide?
The InChIKey is ATKIUUQEGUYKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-8-15-10(2)13(17)16-12-7-5-6-11(14)9-12/h5-7,9-10,15H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(butylamino)-N-(3-chlorophenyl)propanamide?
2-(butylamino)-N-(3-chlorophenyl)propanamide has a molecular weight of 254.76 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 3069643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).