2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

C19H24Cl2N4O2 — CID 119439500

IUPAC2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CNC(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H23ClN4O2.ClH/c1-2-21-12-15-5-3-4-6-17(15)24-18(25)13-23-19(26)22-11-14-7-9-16(20)10-8-14;/h3-10,21H,2,11-13H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyPCJQEAXLQNCPOK-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.31
Rot. Bonds8

About 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (PubChem CID 119439500) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
PubChem CID119439500
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CNC(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H23ClN4O2.ClH/c1-2-21-12-15-5-3-4-6-17(15)24-18(25)13-23-19(26)22-11-14-7-9-16(20)10-8-14;/h3-10,21H,2,11-13H2,1H3,(H,24,25)(H2,22,23,26);1H
InChIKeyPCJQEAXLQNCPOK-UHFFFAOYSA-N
XLogP3.31
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119439887
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55932406
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119641198
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (CID 119439500) is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is CCNCc1ccccc1NC(=O)CNC(=O)NCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The InChIKey is PCJQEAXLQNCPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2.ClH/c1-2-21-12-15-5-3-4-6-17(15)24-18(25)13-23-19(26)22-11-14-7-9-16(20)10-8-14;/h3-10,21H,2,11-13H2,1H3,(H,24,25)(H2,22,23,26);1H.
What are the key properties of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride has a molecular weight of 411.33 g/mol, XLogP of 3.31, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119439500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).