2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide

C16H23ClN2O2 — CID 111753533

IUPAC2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CNc1cc(CO)ccc1Cl)C1CC1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)9-19(13-4-5-13)16(21)8-18-15-7-12(10-20)3-6-14(15)17/h3,6-7,11,13,18,20H,4-5,8-10H2,1-2H3
InChIKeyCMARZZDHXPTMQD-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.89
Rot. Bonds7

About 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide

2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide (PubChem CID 111753533) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
PubChem CID111753533
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CNc1cc(CO)ccc1Cl)C1CC1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)9-19(13-4-5-13)16(21)8-18-15-7-12(10-20)3-6-14(15)17/h3,6-7,11,13,18,20H,4-5,8-10H2,1-2H3
InChIKeyCMARZZDHXPTMQD-UHFFFAOYSA-N
XLogP2.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 60938792
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 111777979
2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729649
N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
CID 115755804
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95292352
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79187802
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 110929606
N-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 71876568
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
CID 61488089
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003548
N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
CID 110923541

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide (CID 111753533) is 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CNc1cc(CO)ccc1Cl)C1CC1.
What is the InChIKey of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The InChIKey is CMARZZDHXPTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(2)9-19(13-4-5-13)16(21)8-18-15-7-12(10-20)3-6-14(15)17/h3,6-7,11,13,18,20H,4-5,8-10H2,1-2H3.
What are the key properties of 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide?
2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide has a molecular weight of 310.83 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(hydroxymethyl)anilino]-N-cyclopropyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 111753533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).