N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide

C18H21ClN2O — CID 46435319

IUPACN-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-3-21(4-2)13-14-8-10-15(11-9-14)18(22)20-17-7-5-6-16(19)12-17/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyCRQHGCNMLNYJGC-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.43
Rot. Bonds6

About N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide

N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide (PubChem CID 46435319) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
PubChem CID46435319
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-3-21(4-2)13-14-8-10-15(11-9-14)18(22)20-17-7-5-6-16(19)12-17/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyCRQHGCNMLNYJGC-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
4-(diethylaminomethyl)-N-(3-ethynylphenyl)benzamide
CID 46426668
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-(3-chlorophenyl)-4-(nitromethyl)benzamide
CID 57301971
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 55799960
3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
CID 4229430
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide (CID 46435319) is N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide is CCN(CC)Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide?
The InChIKey is CRQHGCNMLNYJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-3-21(4-2)13-14-8-10-15(11-9-14)18(22)20-17-7-5-6-16(19)12-17/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide?
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide has a molecular weight of 316.83 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide is sourced from PubChem (CID 46435319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).