N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide

C18H21ClN2O3 — CID 51117262

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc(Cl)c2N(C)C)cc(OC)c1C
InChIInChI=1S/C18H21ClN2O3/c1-11-15(23-4)9-12(10-16(11)24-5)18(22)20-14-8-6-7-13(19)17(14)21(2)3/h6-10H,1-5H3,(H,20,22)
InChIKeyFQNAYNNTHDRZLG-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.98
Rot. Bonds5

About N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide

N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 51117262) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID51117262
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc(Cl)c2N(C)C)cc(OC)c1C
InChIInChI=1S/C18H21ClN2O3/c1-11-15(23-4)9-12(10-16(11)24-5)18(22)20-14-8-6-7-13(19)17(14)21(2)3/h6-10H,1-5H3,(H,20,22)
InChIKeyFQNAYNNTHDRZLG-UHFFFAOYSA-N
XLogP3.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023
N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 46458104
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812870
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55763182
N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028921
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
CID 46485504

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide (CID 51117262) is N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cccc(Cl)c2N(C)C)cc(OC)c1C.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is FQNAYNNTHDRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-11-15(23-4)9-12(10-16(11)24-5)18(22)20-14-8-6-7-13(19)17(14)21(2)3/h6-10H,1-5H3,(H,20,22).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 348.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 51117262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).