4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide

C23H25ClN2O2 — CID 55592636

IUPAC4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N(C1CC1)C1CCCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O2/c24-18-10-8-17(9-11-18)23(28)25-15-14-22(27)26(19-12-13-19)21-7-3-5-16-4-1-2-6-20(16)21/h1-2,4,6,8-11,19,21H,3,5,7,12-15H2,(H,25,28)
InChIKeyUVRUHCFWMBWUKC-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.53
Rot. Bonds6

About 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide (PubChem CID 55592636) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide
PubChem CID55592636
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N(C1CC1)C1CCCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O2/c24-18-10-8-17(9-11-18)23(28)25-15-14-22(27)26(19-12-13-19)21-7-3-5-16-4-1-2-6-20(16)21/h1-2,4,6,8-11,19,21H,3,5,7,12-15H2,(H,25,28)
InChIKeyUVRUHCFWMBWUKC-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide;hydrochloride
CID 119728149
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51936238
4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10046389
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120609184
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 51113496
N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592536
N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55592535
N-cyclopropyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55592024
4-methoxy-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 71768306

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide (CID 55592636) is 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide is O=C(NCCC(=O)N(C1CC1)C1CCCc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is UVRUHCFWMBWUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-18-10-8-17(9-11-18)23(28)25-15-14-22(27)26(19-12-13-19)21-7-3-5-16-4-1-2-6-20(16)21/h1-2,4,6,8-11,19,21H,3,5,7,12-15H2,(H,25,28).
What are the key properties of 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 396.92 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55592636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).