N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide

C16H17ClN2O — CID 7922599

IUPACN-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O/c1-19(2)15-8-4-6-13(10-15)16(20)18-11-12-5-3-7-14(17)9-12/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMFEOITWJPOBYSR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.34
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide

N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide (PubChem CID 7922599) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
PubChem CID7922599
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O/c1-19(2)15-8-4-6-13(10-15)16(20)18-11-12-5-3-7-14(17)9-12/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyMFEOITWJPOBYSR-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 32636517
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CID 52685710
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide (CID 7922599) is N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide?
The InChIKey is MFEOITWJPOBYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(2)15-8-4-6-13(10-15)16(20)18-11-12-5-3-7-14(17)9-12/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide?
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 7922599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).