3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide

C14H21ClN2O — CID 81489482

IUPAC3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C(C)(C)CN
InChIInChI=1S/C14H21ClN2O/c1-10(17-13(18)14(2,3)9-16)8-11-6-4-5-7-12(11)15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyNRUBTQRDODYUDH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.37
Rot. Bonds5

About 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide

3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 81489482) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID81489482
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C(C)(C)CN
InChIInChI=1S/C14H21ClN2O/c1-10(17-13(18)14(2,3)9-16)8-11-6-4-5-7-12(11)15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyNRUBTQRDODYUDH-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
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(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
CID 81075633
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
CID 43697039
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CID 55144973

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide (CID 81489482) is 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide is CC(Cc1ccccc1Cl)NC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is NRUBTQRDODYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(17-13(18)14(2,3)9-16)8-11-6-4-5-7-12(11)15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide?
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 81489482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).