2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide

C14H19ClN2O — CID 81354478

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
SMILESCC(N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O/c1-9(11-3-5-12(15)6-4-11)16-10(2)14(18)17-13-7-8-13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)/t9-,10?/m0/s1
InChIKeyNTLNMLVSGYEBJJ-RGURZIINSA-N
MW266.77 g/mol
LogP2.66
Rot. Bonds5

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide (PubChem CID 81354478) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
PubChem CID81354478
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
SMILESCC(N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O/c1-9(11-3-5-12(15)6-4-11)16-10(2)14(18)17-13-7-8-13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)/t9-,10?/m0/s1
InChIKeyNTLNMLVSGYEBJJ-RGURZIINSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
CID 54936564
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 81371173
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 51936691

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide (CID 81354478) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide is CC(N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC1CC1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The InChIKey is NTLNMLVSGYEBJJ-RGURZIINSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(11-3-5-12(15)6-4-11)16-10(2)14(18)17-13-7-8-13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)/t9-,10?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide has a molecular weight of 266.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 81354478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).