N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide

C18H19ClN2O4 — CID 87004486

IUPACN-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(=O)NC)ccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-4-25-15-8-6-12(10-16(15)24-3)18(23)21-14-9-11(17(22)20-2)5-7-13(14)19/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGFEHZJAMEFGGTP-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.36
Rot. Bonds6

About N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide

N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide (PubChem CID 87004486) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
PubChem CID87004486
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(=O)NC)ccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-4-25-15-8-6-12(10-16(15)24-3)18(23)21-14-9-11(17(22)20-2)5-7-13(14)19/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGFEHZJAMEFGGTP-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 46486231
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-chlorobenzoic acid
CID 1303806
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 49021544
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide (CID 87004486) is N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)Nc2cc(C(=O)NC)ccc2Cl)cc1OC.
What is the InChIKey of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is GFEHZJAMEFGGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-4-25-15-8-6-12(10-16(15)24-3)18(23)21-14-9-11(17(22)20-2)5-7-13(14)19/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 87004486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).