N-[3-amino-1-(3-chlorophenyl)propyl]propanamide

C12H17ClN2O — CID 142183594

IUPACN-[3-amino-1-(3-chlorophenyl)propyl]propanamide
SMILESCCC(=O)NC(CCN)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-2-12(16)15-11(6-7-14)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7,14H2,1H3,(H,15,16)
InChIKeyJNFXODBGASGWGQ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.26
Rot. Bonds5

About N-[3-amino-1-(3-chlorophenyl)propyl]propanamide

N-[3-amino-1-(3-chlorophenyl)propyl]propanamide (PubChem CID 142183594) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[3-amino-1-(3-chlorophenyl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-amino-1-(3-chlorophenyl)propyl]propanamide
PubChem CID142183594
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[3-amino-1-(3-chlorophenyl)propyl]propanamide
SMILESCCC(=O)NC(CCN)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-2-12(16)15-11(6-7-14)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7,14H2,1H3,(H,15,16)
InChIKeyJNFXODBGASGWGQ-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
CID 146479429
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
CID 81371649
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254796
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 64683806
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(3-chlorophenyl)propyl]propanamide?
The IUPAC name of N-[3-amino-1-(3-chlorophenyl)propyl]propanamide (CID 142183594) is N-[3-amino-1-(3-chlorophenyl)propyl]propanamide.
What is the SMILES notation for N-[3-amino-1-(3-chlorophenyl)propyl]propanamide?
The canonical SMILES for N-[3-amino-1-(3-chlorophenyl)propyl]propanamide is CCC(=O)NC(CCN)c1cccc(Cl)c1.
What is the InChIKey of N-[3-amino-1-(3-chlorophenyl)propyl]propanamide?
The InChIKey is JNFXODBGASGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-12(16)15-11(6-7-14)9-4-3-5-10(13)8-9/h3-5,8,11H,2,6-7,14H2,1H3,(H,15,16).
What are the key properties of N-[3-amino-1-(3-chlorophenyl)propyl]propanamide?
N-[3-amino-1-(3-chlorophenyl)propyl]propanamide has a molecular weight of 240.73 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(3-chlorophenyl)propyl]propanamide is sourced from PubChem (CID 142183594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).