N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide

C15H21ClN2O2 — CID 106129889

IUPACN-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC1CCC(O)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-2-4-12(16)7-14(10)18-15(20)9-17-8-11-3-5-13(19)6-11/h2,4,7,11,13,17,19H,3,5-6,8-9H2,1H3,(H,18,20)
InChIKeyITBLWYDGVYTLMM-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.34
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide (PubChem CID 106129889) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
PubChem CID106129889
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC1CCC(O)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-2-4-12(16)7-14(10)18-15(20)9-17-8-11-3-5-13(19)6-11/h2,4,7,11,13,17,19H,3,5-6,8-9H2,1H3,(H,18,20)
InChIKeyITBLWYDGVYTLMM-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide
CID 103603858
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide (CID 106129889) is N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNCC1CCC(O)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
The InChIKey is ITBLWYDGVYTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-2-4-12(16)7-14(10)18-15(20)9-17-8-11-3-5-13(19)6-11/h2,4,7,11,13,17,19H,3,5-6,8-9H2,1H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide is sourced from PubChem (CID 106129889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).