[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate

C14H8Cl2N2O5 — CID 2278448

IUPAC[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate
SMILESO=C(NOC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2N2O5/c15-9-3-1-8(2-4-9)13(19)17-23-14(20)11-7-10(18(21)22)5-6-12(11)16/h1-7H,(H,17,19)
InChIKeyRJCQRLYGNCTRFI-UHFFFAOYSA-N
MW355.13 g/mol
LogP3.40
Rot. Bonds3

About [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate

[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate (PubChem CID 2278448) has the molecular formula C14H8Cl2N2O5 and a molecular weight of 355.13 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate
PubChem CID2278448
Molecular FormulaC14H8Cl2N2O5
Molecular Weight355.13 g/mol
Exact Mass353.98
IUPAC Name[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate
SMILESO=C(NOC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2N2O5/c15-9-3-1-8(2-4-9)13(19)17-23-14(20)11-7-10(18(21)22)5-6-12(11)16/h1-7H,(H,17,19)
InChIKeyRJCQRLYGNCTRFI-UHFFFAOYSA-N
XLogP3.40
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzamido 2-chloro-4-nitrobenzoate
CID 59855635
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631006
methyl 2-(4-chlorophenyl)-5-nitrobenzoate
CID 69324152
(4-acetylphenyl) 2-chloro-5-nitrobenzoate
CID 775373
[2-(4-bromophenyl)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2306188
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
(4-chlorophenyl)methyl 2-hydroxy-5-nitrobenzoate
CID 3482319
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
CID 7891622
1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
CID 8668718
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770

Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate (CID 2278448) is [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate is O=C(NOC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate?
The InChIKey is RJCQRLYGNCTRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O5/c15-9-3-1-8(2-4-9)13(19)17-23-14(20)11-7-10(18(21)22)5-6-12(11)16/h1-7H,(H,17,19).
What are the key properties of [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate?
[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate has a molecular weight of 355.13 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate is sourced from PubChem (CID 2278448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).