methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate

C15H12Cl2N2O3 — CID 18962720

IUPACmethyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(N)c2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O3/c1-22-15(21)9-4-2-8(3-5-9)14(20)19-12-7-10(16)6-11(18)13(12)17/h2-7H,18H2,1H3,(H,19,20)
InChIKeySAPDBENFVXYZKJ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.61
Rot. Bonds3

About methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate

methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate (PubChem CID 18962720) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate
PubChem CID18962720
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Namemethyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(N)c2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O3/c1-22-15(21)9-4-2-8(3-5-9)14(20)19-12-7-10(16)6-11(18)13(12)17/h2-7H,18H2,1H3,(H,19,20)
InChIKeySAPDBENFVXYZKJ-UHFFFAOYSA-N
XLogP3.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
methyl 4-(chlorocarbamoyl)benzoate
CID 87175338

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate (CID 18962720) is methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(N)c2Cl)cc1.
What is the InChIKey of methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate?
The InChIKey is SAPDBENFVXYZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-15(21)9-4-2-8(3-5-9)14(20)19-12-7-10(16)6-11(18)13(12)17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate?
methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate has a molecular weight of 339.18 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-amino-2,5-dichlorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 18962720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).