2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide

C20H23ClN2O2 — CID 5185483

IUPAC2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-15(11-12-16-7-3-2-4-8-16)23-19(24)13-14-22-20(25)17-9-5-6-10-18(17)21/h2-10,15H,11-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyVKEZZAYZGNXRBM-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.60
Rot. Bonds8

About 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide

2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide (PubChem CID 5185483) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide
PubChem CID5185483
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-15(11-12-16-7-3-2-4-8-16)23-19(24)13-14-22-20(25)17-9-5-6-10-18(17)21/h2-10,15H,11-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyVKEZZAYZGNXRBM-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide (CID 5185483) is 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide is CC(CCc1ccccc1)NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide?
The InChIKey is VKEZZAYZGNXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(11-12-16-7-3-2-4-8-16)23-19(24)13-14-22-20(25)17-9-5-6-10-18(17)21/h2-10,15H,11-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide?
2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 5185483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).