3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid

C23H19NO6 — CID 167899955

IUPAC3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C23H19NO6/c1-29-23(28)18-10-11-20(30-14-15-6-3-2-4-7-15)19(13-18)24-21(25)16-8-5-9-17(12-16)22(26)27/h2-13H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyNVIZLHVSMYBCMB-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.00
Rot. Bonds7

About 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid

3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid (PubChem CID 167899955) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
PubChem CID167899955
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Name3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C23H19NO6/c1-29-23(28)18-10-11-20(30-14-15-6-3-2-4-7-15)19(13-18)24-21(25)16-8-5-9-17(12-16)22(26)27/h2-13H,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyNVIZLHVSMYBCMB-UHFFFAOYSA-N
XLogP4.00
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
CID 16567479
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 134136186
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid (CID 167899955) is 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid is COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid?
The InChIKey is NVIZLHVSMYBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-29-23(28)18-10-11-20(30-14-15-6-3-2-4-7-15)19(13-18)24-21(25)16-8-5-9-17(12-16)22(26)27/h2-13H,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid?
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid has a molecular weight of 405.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 167899955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).