2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

C19H23ClN2O2 — CID 87013552

IUPAC2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CNC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14(17-7-9-18(20)10-8-17)21-12-19(23)22-11-15-3-5-16(6-4-15)13-24-2/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyQXQXTDRBGYVOPK-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.45
Rot. Bonds8

About 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 87013552) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID87013552
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CNC(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14(17-7-9-18(20)10-8-17)21-12-19(23)22-11-15-3-5-16(6-4-15)13-24-2/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyQXQXTDRBGYVOPK-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (CID 87013552) is 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccc(CNC(=O)CNC(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is QXQXTDRBGYVOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(17-7-9-18(20)10-8-17)21-12-19(23)22-11-15-3-5-16(6-4-15)13-24-2/h3-10,14,21H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87013552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).