2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide

C21H23ClN4O4 — CID 55836968

IUPAC2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H23ClN4O4/c1-30-16-7-2-13(3-8-16)19(27)23-10-11-24-21(29)26-15-6-9-18(22)17(12-15)20(28)25-14-4-5-14/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29)
InChIKeyIPZNWRBYJTZTHF-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.79
Rot. Bonds8

About 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide

2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide (PubChem CID 55836968) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide
PubChem CID55836968
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Name2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H23ClN4O4/c1-30-16-7-2-13(3-8-16)19(27)23-10-11-24-21(29)26-15-6-9-18(22)17(12-15)20(28)25-14-4-5-14/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29)
InChIKeyIPZNWRBYJTZTHF-UHFFFAOYSA-N
XLogP2.79
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 56557423
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
2-chloro-N-cyclopropyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]benzamide
CID 55836840
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide
CID 17188698
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide
CID 55836455
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide (CID 55836968) is 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide is COc1ccc(C(=O)NCCNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide?
The InChIKey is IPZNWRBYJTZTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-30-16-7-2-13(3-8-16)19(27)23-10-11-24-21(29)26-15-6-9-18(22)17(12-15)20(28)25-14-4-5-14/h2-3,6-9,12,14H,4-5,10-11H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29).
What are the key properties of 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide?
2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide has a molecular weight of 430.89 g/mol, XLogP of 2.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide is sourced from PubChem (CID 55836968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).