5-(2-amino-3-chloroanilino)pentanamide

C11H16ClN3O — CID 106234126

IUPAC5-(2-amino-3-chloroanilino)pentanamide
SMILESNC(=O)CCCCNc1cccc(Cl)c1N
InChIInChI=1S/C11H16ClN3O/c12-8-4-3-5-9(11(8)14)15-7-2-1-6-10(13)16/h3-5,15H,1-2,6-7,14H2,(H2,13,16)
InChIKeyPVQXCCWVIOTVEH-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.99
Rot. Bonds6

About 5-(2-amino-3-chloroanilino)pentanamide

5-(2-amino-3-chloroanilino)pentanamide (PubChem CID 106234126) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-(2-amino-3-chloroanilino)pentanamide.

Molecular Properties

Compound Name5-(2-amino-3-chloroanilino)pentanamide
PubChem CID106234126
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-(2-amino-3-chloroanilino)pentanamide
SMILESNC(=O)CCCCNc1cccc(Cl)c1N
InChIInChI=1S/C11H16ClN3O/c12-8-4-3-5-9(11(8)14)15-7-2-1-6-10(13)16/h3-5,15H,1-2,6-7,14H2,(H2,13,16)
InChIKeyPVQXCCWVIOTVEH-UHFFFAOYSA-N
XLogP1.99
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
3-(2,3-dichloroanilino)propanamide
CID 43152512
3-chloro-1-N-(5,5,5-trifluoropentyl)benzene-1,2-diamine
CID 104834782
2-(2-amino-3-chloroanilino)acetic acid
CID 104834433
3-chloro-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 104834578
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598
4-(3-chloroanilino)butanamide
CID 67066977
5-(3-fluoro-2-nitroanilino)pentanamide
CID 106238518

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-chloroanilino)pentanamide?
The IUPAC name of 5-(2-amino-3-chloroanilino)pentanamide (CID 106234126) is 5-(2-amino-3-chloroanilino)pentanamide.
What is the SMILES notation for 5-(2-amino-3-chloroanilino)pentanamide?
The canonical SMILES for 5-(2-amino-3-chloroanilino)pentanamide is NC(=O)CCCCNc1cccc(Cl)c1N.
What is the InChIKey of 5-(2-amino-3-chloroanilino)pentanamide?
The InChIKey is PVQXCCWVIOTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-8-4-3-5-9(11(8)14)15-7-2-1-6-10(13)16/h3-5,15H,1-2,6-7,14H2,(H2,13,16).
What are the key properties of 5-(2-amino-3-chloroanilino)pentanamide?
5-(2-amino-3-chloroanilino)pentanamide has a molecular weight of 241.72 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-chloroanilino)pentanamide is sourced from PubChem (CID 106234126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).