N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide

C18H19ClN2O4 — CID 46519975

IUPACN-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(NC(C)=O)cc2)cc(Cl)c1OC
InChIInChI=1S/C18H19ClN2O4/c1-11(22)21-14-6-4-12(5-7-14)10-20-18(23)13-8-15(19)17(25-3)16(9-13)24-2/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKADPLCFLLLTYDP-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.25
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide

N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide (PubChem CID 46519975) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
PubChem CID46519975
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(NC(C)=O)cc2)cc(Cl)c1OC
InChIInChI=1S/C18H19ClN2O4/c1-11(22)21-14-6-4-12(5-7-14)10-20-18(23)13-8-15(19)17(25-3)16(9-13)24-2/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKADPLCFLLLTYDP-UHFFFAOYSA-N
XLogP3.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 108923065
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 55949411

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide (CID 46519975) is N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide is COc1cc(C(=O)NCc2ccc(NC(C)=O)cc2)cc(Cl)c1OC.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide?
The InChIKey is KADPLCFLLLTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11(22)21-14-6-4-12(5-7-14)10-20-18(23)13-8-15(19)17(25-3)16(9-13)24-2/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide?
N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 46519975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).