4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride

C12H18Cl2N2O — CID 44818079

IUPAC4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O.ClH/c13-11-5-2-1-4-10(11)7-9-15-12(16)6-3-8-14;/h1-2,4-5H,3,6-9,14H2,(H,15,16);1H
InChIKeyKHNVHGKRZWVBPY-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.16
Rot. Bonds6

About 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride

4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride (PubChem CID 44818079) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
PubChem CID44818079
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O.ClH/c13-11-5-2-1-4-10(11)7-9-15-12(16)6-3-8-14;/h1-2,4-5H,3,6-9,14H2,(H,15,16);1H
InChIKeyKHNVHGKRZWVBPY-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 90008849
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814900
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride (CID 44818079) is 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCCc1ccccc1Cl.
What is the InChIKey of 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride?
The InChIKey is KHNVHGKRZWVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c13-11-5-2-1-4-10(11)7-9-15-12(16)6-3-8-14;/h1-2,4-5H,3,6-9,14H2,(H,15,16);1H.
What are the key properties of 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride?
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 44818079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).