methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate

C22H19NO4 — CID 69296077

IUPACmethyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-21(24)19-9-5-6-10-20(19)23-22(25)27-15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyLHQFSRYGODDRCA-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.89
Rot. Bonds5

About methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate

methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate (PubChem CID 69296077) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
PubChem CID69296077
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-21(24)19-9-5-6-10-20(19)23-22(25)27-15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyLHQFSRYGODDRCA-UHFFFAOYSA-N
XLogP4.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-hydroxy-3-[(4-methylphenyl)methoxycarbonylamino]benzoic acid
CID 19000800
methyl 2-[(3S)-4-oxopent-1-en-3-yl]-3-(phenylmethoxycarbonylamino)benzoate
CID 69176470
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
methyl 4,5-difluoro-2-[(4-methylphenyl)methoxycarbonylamino]benzoate
CID 169223401
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate?
The IUPAC name of methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate (CID 69296077) is methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate?
The canonical SMILES for methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate is COC(=O)c1ccccc1NC(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate?
The InChIKey is LHQFSRYGODDRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-21(24)19-9-5-6-10-20(19)23-22(25)27-15-16-11-13-18(14-12-16)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate?
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate is sourced from PubChem (CID 69296077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).