N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide

C15H22Cl2N2O — CID 61022567

IUPACN-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-4-10(2)19-15(20)7-8-18-11(3)12-5-6-13(16)14(17)9-12/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyKIPHKGZWXPKRBW-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.95
Rot. Bonds7

About N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide

N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide (PubChem CID 61022567) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
PubChem CID61022567
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-4-10(2)19-15(20)7-8-18-11(3)12-5-6-13(16)14(17)9-12/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyKIPHKGZWXPKRBW-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
CID 61022683
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 82774284
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 62839086
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102750885
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 81334397

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide (CID 61022567) is N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide is CCC(C)NC(=O)CCNC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide?
The InChIKey is KIPHKGZWXPKRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-4-10(2)19-15(20)7-8-18-11(3)12-5-6-13(16)14(17)9-12/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide?
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide has a molecular weight of 317.26 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 61022567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).