N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide

C16H14Cl2N2O3 — CID 32637003

IUPACN-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2cccc(C(N)=O)c2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-23-14-12(17)6-11(7-13(14)18)16(22)20-8-9-3-2-4-10(5-9)15(19)21/h2-7H,8H2,1H3,(H2,19,21)(H,20,22)
InChIKeyVNWLNJAONAXJND-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.03
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide

N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide (PubChem CID 32637003) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
PubChem CID32637003
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2cccc(C(N)=O)c2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-23-14-12(17)6-11(7-13(14)18)16(22)20-8-9-3-2-4-10(5-9)15(19)21/h2-7H,8H2,1H3,(H2,19,21)(H,20,22)
InChIKeyVNWLNJAONAXJND-UHFFFAOYSA-N
XLogP3.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(propanoylamino)methyl]benzamide
CID 32636451
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
CID 1297066
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-carbamoylphenyl)methyl]-4-methoxy-3-nitrobenzamide
CID 32636593
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide (CID 32637003) is N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCc2cccc(C(N)=O)c2)cc1Cl.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide?
The InChIKey is VNWLNJAONAXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-14-12(17)6-11(7-13(14)18)16(22)20-8-9-3-2-4-10(5-9)15(19)21/h2-7H,8H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide?
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide has a molecular weight of 353.21 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 32637003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).