3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide

C12H16ClN3O — CID 119856759

IUPAC3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
SMILESNCCC(=O)Nc1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C12H16ClN3O/c13-8-1-4-10(15-9-2-3-9)11(7-8)16-12(17)5-6-14/h1,4,7,9,15H,2-3,5-6,14H2,(H,16,17)
InChIKeyHNBVUJSIMWZZGS-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.20
Rot. Bonds5

About 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide

3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide (PubChem CID 119856759) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
PubChem CID119856759
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
SMILESNCCC(=O)Nc1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C12H16ClN3O/c13-8-1-4-10(15-9-2-3-9)11(7-8)16-12(17)5-6-14/h1,4,7,9,15H,2-3,5-6,14H2,(H,16,17)
InChIKeyHNBVUJSIMWZZGS-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide
CID 120595674
N-[5-chloro-2-(cyclopropylamino)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71971049
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(cyclopropylamino)phenyl]oxolane-2-carboxamide
CID 120798578
3-(7-bromo-3-oxo-1H-isoindol-2-yl)-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
CID 67516500
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
ethyl 4-[4-chloro-2-(1,2,2-tricyanoethenylamino)anilino]piperidine-1-carboxylate
CID 168609938
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide?
The IUPAC name of 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide (CID 119856759) is 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide is NCCC(=O)Nc1cc(Cl)ccc1NC1CC1.
What is the InChIKey of 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide?
The InChIKey is HNBVUJSIMWZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-8-1-4-10(15-9-2-3-9)11(7-8)16-12(17)5-6-14/h1,4,7,9,15H,2-3,5-6,14H2,(H,16,17).
What are the key properties of 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide?
3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide has a molecular weight of 253.73 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide is sourced from PubChem (CID 119856759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).