N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide

C13H18ClN3O2 — CID 82034391

IUPACN-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CCN)c1
InChIInChI=1S/C13H18ClN3O2/c1-2-3-12(18)16-9-4-5-10(14)11(8-9)17-13(19)6-7-15/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNFRRCVUGRMMMAJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.37
Rot. Bonds6

About N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide

N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide (PubChem CID 82034391) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
PubChem CID82034391
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CCN)c1
InChIInChI=1S/C13H18ClN3O2/c1-2-3-12(18)16-9-4-5-10(14)11(8-9)17-13(19)6-7-15/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNFRRCVUGRMMMAJ-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
CID 82034457
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
4-[5-(butanoylamino)-2-chloroanilino]-4-oxobut-2-enoic acid
CID 53407462
N-[4-chloro-3-[[2-(hexadecylamino)acetyl]amino]phenyl]butanamide
CID 54808683
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide?
The IUPAC name of N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide (CID 82034391) is N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide?
The canonical SMILES for N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCN)c1.
What is the InChIKey of N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide?
The InChIKey is NFRRCVUGRMMMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-3-12(18)16-9-4-5-10(14)11(8-9)17-13(19)6-7-15/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide?
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide has a molecular weight of 283.76 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide is sourced from PubChem (CID 82034391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).