N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide

C14H18ClN3O — CID 64920481

IUPACN-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H18ClN3O/c1-4-9(2)17-14(19)10(3)18-13-7-12(15)6-5-11(13)8-16/h5-7,9-10,18H,4H2,1-3H3,(H,17,19)
InChIKeyQYTJYYWZJKPQSA-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.93
Rot. Bonds5

About N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide

N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide (PubChem CID 64920481) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
PubChem CID64920481
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H18ClN3O/c1-4-9(2)17-14(19)10(3)18-13-7-12(15)6-5-11(13)8-16/h5-7,9-10,18H,4H2,1-3H3,(H,17,19)
InChIKeyQYTJYYWZJKPQSA-UHFFFAOYSA-N
XLogP2.93
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
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4-chloro-2-(pentan-2-ylamino)benzonitrile
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2-bromo-N-(5-chloro-2-cyanophenyl)butanamide
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2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
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4-chloro-2-(1-ethoxypropan-2-ylamino)benzonitrile
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2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide?
The IUPAC name of N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide (CID 64920481) is N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide is CCC(C)NC(=O)C(C)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide?
The InChIKey is QYTJYYWZJKPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-9(2)17-14(19)10(3)18-13-7-12(15)6-5-11(13)8-16/h5-7,9-10,18H,4H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide?
N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide has a molecular weight of 279.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide is sourced from PubChem (CID 64920481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).