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

C12H17ClN2O — CID 94687820

IUPACN-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
SMILESNCCCNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-5-2-1-4-10(11)6-7-12(16)15-9-3-8-14/h1-2,4-5H,3,6-9,14H2,(H,15,16)
InChIKeyCCNAYPLRVWWBBM-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.74
Rot. Bonds6

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

N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide (PubChem CID 94687820) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
PubChem CID94687820
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
SMILESNCCCNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-5-2-1-4-10(11)6-7-12(16)15-9-3-8-14/h1-2,4-5H,3,6-9,14H2,(H,15,16)
InChIKeyCCNAYPLRVWWBBM-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.74
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

4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934902
methyl 6-[3-(2-chlorophenyl)propanoylamino]hexanoate
CID 43404503
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 115637010

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide (CID 94687820) is N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide is NCCCNC(=O)CCc1ccccc1Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide?
The InChIKey is CCNAYPLRVWWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-5-2-1-4-10(11)6-7-12(16)15-9-3-8-14/h1-2,4-5H,3,6-9,14H2,(H,15,16).
What are the key properties of N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide?
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide has a molecular weight of 240.73 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 94687820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).