N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide

C18H17ClN2O2 — CID 113094075

IUPACN-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CC1
InChIInChI=1S/C18H17ClN2O2/c1-12(22)21(17-10-11-17)16-8-6-15(7-9-16)20-18(23)13-2-4-14(19)5-3-13/h2-9,17H,10-11H2,1H3,(H,20,23)
InChIKeyPBTGEZPCURVXAL-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.11
Rot. Bonds4

About N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide

N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide (PubChem CID 113094075) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
PubChem CID113094075
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CC1
InChIInChI=1S/C18H17ClN2O2/c1-12(22)21(17-10-11-17)16-8-6-15(7-9-16)20-18(23)13-2-4-14(19)5-3-13/h2-9,17H,10-11H2,1H3,(H,20,23)
InChIKeyPBTGEZPCURVXAL-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
CID 113094193
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
CID 113094047
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094726
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
CID 113095104

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide (CID 113094075) is N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide is CC(=O)N(c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide?
The InChIKey is PBTGEZPCURVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12(22)21(17-10-11-17)16-8-6-15(7-9-16)20-18(23)13-2-4-14(19)5-3-13/h2-9,17H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide?
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide has a molecular weight of 328.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 113094075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).