N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide

C25H25ClN2O2 — CID 2250223

IUPACN-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c(C)c1C
InChIInChI=1S/C25H25ClN2O2/c1-14-15(2)17(4)23(18(5)16(14)3)25(30)28-22-13-19(11-12-21(22)26)24(29)27-20-9-7-6-8-10-20/h6-13H,1-5H3,(H,27,29)(H,28,30)
InChIKeyDHFQCHZFIBDKNY-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.39
Rot. Bonds4

About N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide

N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide (PubChem CID 2250223) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
PubChem CID2250223
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC NameN-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c(C)c1C
InChIInChI=1S/C25H25ClN2O2/c1-14-15(2)17(4)23(18(5)16(14)3)25(30)28-22-13-19(11-12-21(22)26)24(29)27-20-9-7-6-8-10-20/h6-13H,1-5H3,(H,27,29)(H,28,30)
InChIKeyDHFQCHZFIBDKNY-UHFFFAOYSA-N
XLogP6.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
CID 86982673
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 2268765
4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
CID 1228214
4-chloro-3-(dimethylsulfamoylamino)-N-phenylbenzamide
CID 13322352
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
3-amino-6-chloro-2-methyl-N-phenylbenzamide
CID 86676286
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide?
The IUPAC name of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide (CID 2250223) is N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide?
The canonical SMILES for N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide is Cc1c(C)c(C)c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c(C)c1C.
What is the InChIKey of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide?
The InChIKey is DHFQCHZFIBDKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-14-15(2)17(4)23(18(5)16(14)3)25(30)28-22-13-19(11-12-21(22)26)24(29)27-20-9-7-6-8-10-20/h6-13H,1-5H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide?
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide has a molecular weight of 420.94 g/mol, XLogP of 6.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide is sourced from PubChem (CID 2250223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).