N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide

C19H21ClN2O4 — CID 33094742

IUPACN-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2cccc(C(N)=O)c2)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-3-7-26-17-15(20)9-14(10-16(17)25-2)19(24)22-11-12-5-4-6-13(8-12)18(21)23/h4-6,8-10H,3,7,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyZHQJQGGHCMNVOE-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.17
Rot. Bonds8

About N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide

N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide (PubChem CID 33094742) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
PubChem CID33094742
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2cccc(C(N)=O)c2)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-3-7-26-17-15(20)9-14(10-16(17)25-2)19(24)22-11-12-5-4-6-13(8-12)18(21)23/h4-6,8-10H,3,7,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyZHQJQGGHCMNVOE-UHFFFAOYSA-N
XLogP3.17
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
CID 39003243
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
CID 55717157
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide (CID 33094742) is N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCc2cccc(C(N)=O)c2)cc1OC.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide?
The InChIKey is ZHQJQGGHCMNVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-3-7-26-17-15(20)9-14(10-16(17)25-2)19(24)22-11-12-5-4-6-13(8-12)18(21)23/h4-6,8-10H,3,7,11H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide?
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide has a molecular weight of 376.84 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 33094742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).