N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide

C24H24ClN3O4 — CID 55949411

IUPACN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCCOc1c(Cl)cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H24ClN3O4/c1-3-32-22-20(25)13-16(14-21(22)31-2)15-26-23(29)17-9-11-19(12-10-17)28-24(30)27-18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyDLFIGASFMWXYDR-UHFFFAOYSA-N
MW453.93 g/mol
LogP5.32
Rot. Bonds8

About N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 55949411) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID55949411
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCCOc1c(Cl)cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H24ClN3O4/c1-3-32-22-20(25)13-16(14-21(22)31-2)15-26-23(29)17-9-11-19(12-10-17)28-24(30)27-18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyDLFIGASFMWXYDR-UHFFFAOYSA-N
XLogP5.32
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60533347
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methylsulfonylbenzamide
CID 47063310
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 46466672
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-nitrobenzamide
CID 47063327
N-[3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55891488
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide
CID 119293697
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 55892382
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide (CID 55949411) is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide is CCOc1c(Cl)cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is DLFIGASFMWXYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c1-3-32-22-20(25)13-16(14-21(22)31-2)15-26-23(29)17-9-11-19(12-10-17)28-24(30)27-18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 453.93 g/mol, XLogP of 5.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 55949411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).