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

C14H18ClN3O2 — CID 9335295

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESC[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-9(10-2-4-11(15)5-3-10)16-8-13(19)18-14(20)17-12-6-7-12/h2-5,9,12,16H,6-8H2,1H3,(H2,17,18,19,20)/t9-/m1/s1
InChIKeyLDPFZUMFNMEVRP-SECBINFHSA-N
MW295.77 g/mol
LogP1.98
Rot. Bonds5

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

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 9335295) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID9335295
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESC[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-9(10-2-4-11(15)5-3-10)16-8-13(19)18-14(20)17-12-6-7-12/h2-5,9,12,16H,6-8H2,1H3,(H2,17,18,19,20)/t9-/m1/s1
InChIKeyLDPFZUMFNMEVRP-SECBINFHSA-N
XLogP1.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8834404
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086112
2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 17413792

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide (CID 9335295) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide is C[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is LDPFZUMFNMEVRP-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9(10-2-4-11(15)5-3-10)16-8-13(19)18-14(20)17-12-6-7-12/h2-5,9,12,16H,6-8H2,1H3,(H2,17,18,19,20)/t9-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 295.77 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 9335295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).