N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide

C16H17ClN2O — CID 62184890

IUPACN-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-18-15-9-5-13(6-10-15)16(20)19-11-12-3-7-14(17)8-4-12/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyCMXUCQIBBNWMLX-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.70
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide

N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide (PubChem CID 62184890) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
PubChem CID62184890
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-18-15-9-5-13(6-10-15)16(20)19-11-12-3-7-14(17)8-4-12/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyCMXUCQIBBNWMLX-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
CID 4178891
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
CID 155715091

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide (CID 62184890) is N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide is CCNc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide?
The InChIKey is CMXUCQIBBNWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-18-15-9-5-13(6-10-15)16(20)19-11-12-3-7-14(17)8-4-12/h3-10,18H,2,11H2,1H3,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide?
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide is sourced from PubChem (CID 62184890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).