N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide

C19H20ClNO — CID 92643816

IUPACN-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)19(22)17-9-11-18(20)12-10-17/h2-6,9-12,14,16H,7-8,13H2,1H3/t14-/m0/s1
InChIKeyQLYOFYAIGOAWEE-AWEZNQCLSA-N
MW313.83 g/mol
LogP4.78
Rot. Bonds5

About N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide

N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide (PubChem CID 92643816) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
PubChem CID92643816
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)19(22)17-9-11-18(20)12-10-17/h2-6,9-12,14,16H,7-8,13H2,1H3/t14-/m0/s1
InChIKeyQLYOFYAIGOAWEE-AWEZNQCLSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide
CID 4566053
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 6990705
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide
CID 75854502
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55774668
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide?
The IUPAC name of N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide (CID 92643816) is N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide?
The canonical SMILES for N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide?
The InChIKey is QLYOFYAIGOAWEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)19(22)17-9-11-18(20)12-10-17/h2-6,9-12,14,16H,7-8,13H2,1H3/t14-/m0/s1.
What are the key properties of N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide?
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide has a molecular weight of 313.83 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide is sourced from PubChem (CID 92643816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).