4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride

C12H18Cl2N2O2 — CID 119337512

IUPAC4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CCCN)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-17-11-5-4-9(7-10(11)13)8-15-12(16)3-2-6-14;/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16);1H
InChIKeyFGBYAUMMLBXDPN-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.13
Rot. Bonds6

About 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride

4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride (PubChem CID 119337512) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
PubChem CID119337512
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CCCN)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-17-11-5-4-9(7-10(11)13)8-15-12(16)3-2-6-14;/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16);1H
InChIKeyFGBYAUMMLBXDPN-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163377
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
N-[(3-chloro-4-methoxyphenyl)methyl]-3-cyanopropanamide
CID 94690844
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
4-(3-chloro-4-methoxyphenyl)butanehydrazide
CID 116843564
4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
CID 119322066
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119293696
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
CID 119779149

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride (CID 119337512) is 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride is COc1ccc(CNC(=O)CCCN)cc1Cl.Cl.
What is the InChIKey of 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride?
The InChIKey is FGBYAUMMLBXDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-17-11-5-4-9(7-10(11)13)8-15-12(16)3-2-6-14;/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16);1H.
What are the key properties of 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride?
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119337512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).