propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate

C18H17Cl2NO4 — CID 17050218

IUPACpropan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-10(2)25-18(23)11-4-6-13(7-5-11)21-17(22)12-8-14(19)16(24-3)15(20)9-12/h4-10H,1-3H3,(H,21,22)
InChIKeyIOHKYUOPNLIQHW-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.82
Rot. Bonds5

About propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate

propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate (PubChem CID 17050218) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
PubChem CID17050218
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Namepropan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-10(2)25-18(23)11-4-6-13(7-5-11)21-17(22)12-8-14(19)16(24-3)15(20)9-12/h4-10H,1-3H3,(H,21,22)
InChIKeyIOHKYUOPNLIQHW-UHFFFAOYSA-N
XLogP4.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 18276879
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
propan-2-yl 4-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17358321
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate (CID 17050218) is propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate is COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Cl.
What is the InChIKey of propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
The InChIKey is IOHKYUOPNLIQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-10(2)25-18(23)11-4-6-13(7-5-11)21-17(22)12-8-14(19)16(24-3)15(20)9-12/h4-10H,1-3H3,(H,21,22).
What are the key properties of propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate?
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate has a molecular weight of 382.24 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 17050218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).