2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C20H25ClN2O — CID 9306812

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O/c1-15(12-13-17-8-4-3-5-9-17)23-20(24)14-22-16(2)18-10-6-7-11-19(18)21/h3-11,15-16,22H,12-14H2,1-2H3,(H,23,24)/t15-,16-/m1/s1
InChIKeySNJBKNSMKYRFRW-HZPDHXFCSA-N
MW344.89 g/mol
LogP4.13
Rot. Bonds8

About 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 9306812) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID9306812
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN[C@H](C)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O/c1-15(12-13-17-8-4-3-5-9-17)23-20(24)14-22-16(2)18-10-6-7-11-19(18)21/h3-11,15-16,22H,12-14H2,1-2H3,(H,23,24)/t15-,16-/m1/s1
InChIKeySNJBKNSMKYRFRW-HZPDHXFCSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 9306812) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)CN[C@H](C)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is SNJBKNSMKYRFRW-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-15(12-13-17-8-4-3-5-9-17)23-20(24)14-22-16(2)18-10-6-7-11-19(18)21/h3-11,15-16,22H,12-14H2,1-2H3,(H,23,24)/t15-,16-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 344.89 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9306812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).