N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide

C19H21ClN2O2 — CID 100520474

IUPACN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-4-13(3)21-19(24)15-7-5-6-8-17(15)22-18(23)14-10-9-12(2)11-16(14)20/h5-11,13H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyKKABDRFBCMIULR-ZDUSSCGKSA-N
MW344.84 g/mol
LogP4.43
Rot. Bonds5

About N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide (PubChem CID 100520474) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide
PubChem CID100520474
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-4-13(3)21-19(24)15-7-5-6-8-17(15)22-18(23)14-10-9-12(2)11-16(14)20/h5-11,13H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyKKABDRFBCMIULR-ZDUSSCGKSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
2-chloro-N-(4-chlorobutan-2-yl)-4-methylbenzamide
CID 106863994
2-chloro-N-(2-iodophenyl)-4-methylbenzamide
CID 106491010
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide (CID 100520474) is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide?
The InChIKey is KKABDRFBCMIULR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-4-13(3)21-19(24)15-7-5-6-8-17(15)22-18(23)14-10-9-12(2)11-16(14)20/h5-11,13H,4H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide?
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide has a molecular weight of 344.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide is sourced from PubChem (CID 100520474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).