N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide

C14H22ClN3O — CID 60853978

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H22ClN3O/c1-10(2)16-9-8-13(19)17-12-7-5-6-11(15)14(12)18(3)4/h5-7,10,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyHTEXEMDWTVUMBC-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.73
Rot. Bonds6

About N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide

N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60853978) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
PubChem CID60853978
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C14H22ClN3O/c1-10(2)16-9-8-13(19)17-12-7-5-6-11(15)14(12)18(3)4/h5-7,10,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyHTEXEMDWTVUMBC-UHFFFAOYSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
ethyl N-[3-[3-chloro-2-(dimethylamino)anilino]-3-oxopropyl]carbamate
CID 60558000
N-[3-chloro-2-(dimethylamino)phenyl]-3-(2-nitroanilino)propanamide
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2-(1-aminocyclobutyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 79851030
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
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N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
CID 109013172
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-methoxyethyl)urea
CID 47226452
(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
CID 94194163
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide
CID 114259736
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide (CID 60853978) is N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cccc(Cl)c1N(C)C.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is HTEXEMDWTVUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)16-9-8-13(19)17-12-7-5-6-11(15)14(12)18(3)4/h5-7,10,16H,8-9H2,1-4H3,(H,17,19).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide?
N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 283.80 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60853978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).