4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H21ClN2O3 — CID 42427432

IUPAC4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H21ClN2O3/c21-16-7-3-14(4-8-16)12-19(24)23-17-9-5-15(6-10-17)20(25)22-13-18-2-1-11-26-18/h3-10,18H,1-2,11-13H2,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyXDDKHRVORBHJKY-GOSISDBHSA-N
MW372.85 g/mol
LogP3.43
Rot. Bonds6

About 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 42427432) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID42427432
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H21ClN2O3/c21-16-7-3-14(4-8-16)12-19(24)23-17-9-5-15(6-10-17)20(25)22-13-18-2-1-11-26-18/h3-10,18H,1-2,11-13H2,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyXDDKHRVORBHJKY-GOSISDBHSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
4-[3-(4-aminophenyl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54795337
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-[[2-(cyclohexylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54816576
methyl 4-oxo-4-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 42580218
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 42427432) is 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is XDDKHRVORBHJKY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-16-7-3-14(4-8-16)12-19(24)23-17-9-5-15(6-10-17)20(25)22-13-18-2-1-11-26-18/h3-10,18H,1-2,11-13H2,(H,22,25)(H,23,24)/t18-/m1/s1.
What are the key properties of 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 372.85 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 42427432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).